N,N-bis(2-cyanoethyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CCC#N)CCC#N)SC=C2C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CCC#N)CCC#N)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C23H21N5O2S2/c1-2-12-28-22(30)20-18(17-8-4-3-5-9-17)15-31-21(20)26-23(28)32-16-19(29)27(13-6-10-24)14-7-11-25/h2-5,8-9,15H,1,6-7,12-14,16H2